Compound Detail
CHEMBL572
NITROFURANTOIN 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL572 |
| Name | NITROFURANTOIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| Therapeutic | ✓ Yes |
28
Targets
38
Activities
3
Assay Types
10
PK Parameters
20
Publications
22
Known Names
4
Indications
1
Mechanisms
Molecular Properties
238.2
MW (Da)
0.07
ALogP
6
HBA
1
HBD
118.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1953 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Indications
Bacterial Infections Cystitis Urinary Tract Infections Osteomyelitis
ATC Classification
J01XE01
nitrofurantoin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
J01XE51
nitrofurantoin, combinations
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 27 meas. best 9.05
EC50 10 meas. best 6.16
Ki 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Escherichia coli CHEMBL354 | EC50 | 6.16 | 5.43 | 690.0 | 2 |
| CDGSH iron-sulfur domain-containing protein 1 CHEMBL1795168 | Ki | 6.09 | 6.09 | 816.0 | 1 |
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| A-427 CHEMBL614515 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.67 | 5.56 | 2120.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.63 | 4.77 | 2340.0 | 3 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.5 | 5.5 | 3161.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.36 | 5.36 | 4350.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.35 | 5.35 | 4440.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.24 | 5.24 | 5825.0 | 1 |
| DAN-G CHEMBL614033 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
| RT-4 CHEMBL614884 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| SISO CHEMBL613527 | IC50 | 5.14 | 5.14 | 7270.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.01 | 5.01 | 9830.0 | 1 |
| CDGSH iron-sulfur domain-containing protein 1 CHEMBL1795168 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.68 | 4.68 | 20900.0 | 1 |
| 5637 CHEMBL612565 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| Staphylococcus aureus CHEMBL352 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
| KYSE-510 CHEMBL613868 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.49 | 4.42 | 32209.0 | 3 |
| Enterobacter cloacae CHEMBL349 | EC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Enterococcus faecium CHEMBL357 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
| Klebsiella pneumoniae CHEMBL350 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.33 | 4.33 | 47280.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| F | 87.0 | % | Homo sapiens |
| Fu | 0.17 | - | Homo sapiens |
| Fu | 0.48 | - | Rattus norvegicus |
| Fu | 0.4 | - | Homo sapiens |
| MRT | 0.98 | hr | Homo sapiens |
| T1/2 | 0.97 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine